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Sep 28, 2023 - Wigner Research Centre for Physics
Bortel, Gábor; Kováts, Éva; Földes, Dávid; Jakab, Emma; Durkó, Gábor; Pekker, Sándor, 2023, "Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene", https://hdl.handle.net/21.15109/CONCORDA/K1VCIW, ARP, V1
The limited success in the prediction of structure is one of the most serious problems in the engineering of molecular crystals. Here we show that the packing of high-symmetry molecules such as ball-shaped rotating fullerenes, cube-shaped cubane, and octahedral-shaped mesitylene... |
Sep 28, 2023 -
Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene
application/vnd.multiad.creator.cif - 14.2 KB -
MD5: 789e770333b6bac5acd062dbe5fbdeef
Structure file of C60 mesitylene. |
Sep 28, 2023 -
Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene
application/vnd.multiad.creator.cif - 11.6 KB -
MD5: 02e7aadc3f315de5763f9f50ea8644fb
Structure file of Sc3NC80 cubane. |
Sep 28, 2023 -
Recognition-Control and Host–Guest Interactions in High-Symmetry Cocrystals of Fullerenes with Cubane and Mesitylene
application/vnd.multiad.creator.cif - 10.6 KB -
MD5: 3e114c1b039b243e740d98df875355ab
Structure file of Sc3NC80 mesitylene. |
Sep 28, 2023 - Wigner Research Centre for Physics
Temleitner, Laszlo, 2023, "A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60", https://hdl.handle.net/21.15109/CONCORDA/ZDGWFL, ARP, V1, UNF:6:UTjajACSGnPBG+WxrKsGEA== [fileUNF]
Simulated datasets, and source code of the applied programs related to the publication appeared in Journal of Molecular Liquids Volume 341, 1 November 2021, 116916 (https://doi.org/10.1016/j.molliq.2021.116916) The orientational correlation scheme introduced earlier for tetrahedr... |
Sep 28, 2023 -
A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60
C++ Source - 32.6 KB -
MD5: 5c05f2eab3ac4e723333f3fea2a99fc7
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Sep 28, 2023 -
A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60
C++ Source - 7.5 KB -
MD5: 3fa43647b4e001cc2ce2bf03a7b4b63a
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Sep 28, 2023 -
A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60
C++ Source - 17.7 KB -
MD5: fdf57be00adb400b30652b2399d9a496
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Sep 28, 2023 -
A generalized scheme for characterizing orientational correlations in condensed phases of high symmetry molecules: SF6 and C60
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MD5: 9b9f5f252b493b65abccb8f41157ec91
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